CID 265546

2-amino-4,6-dichloropyrimidine-5-carboxaldehyde

Structural Information

Molecular Formula
C5H3Cl2N3O
SMILES
C(=O)C1=C(N=C(N=C1Cl)N)Cl
InChI
InChI=1S/C5H3Cl2N3O/c6-3-2(1-11)4(7)10-5(8)9-3/h1H,(H2,8,9,10)
InChIKey
GOJUJUVQIVIZAV-UHFFFAOYSA-N
Compound name
2-amino-4,6-dichloropyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13565
Patents

190.96532 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.97260 132.4
[M+Na]+ 213.95454 144.6
[M-H]- 189.95804 133.0
[M+NH4]+ 208.99914 150.6
[M+K]+ 229.92848 139.7
[M+H-H2O]+ 173.96258 127.1
[M+HCOO]- 235.96352 146.5
[M+CH3COO]- 249.97917 182.0
[M+Na-2H]- 211.93999 138.5
[M]+ 190.96477 134.6
[M]- 190.96587 134.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe